2-nitro-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol

Systemtic Name: 2-nitro-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol Openeye Name: 2-nitro-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol CAS Name: 2-nitro-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol IUPAC Name: 2-nitro-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol Traditional Name: 2-nitro-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol Formula: C12H17NO7 MolecularWeight: 287.26588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C(CO)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C(CO)[N+](=O)[O-])O

InChI

InChI=1S/C12H17NO7/c1-18-9-4-7(5-10(19-2)12(9)20-3)11(15)8(6-14)13(16)17/h4-5,8,11,14-15H,6H2,1-3H3